N-propan-2-yl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine

Systemtic Name: N-propan-2-yl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-isopropyl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-propan-2-yl-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-propan-2-yl-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: isopropyl-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amine Formula: C20H27N7+2 MolecularWeight: 365.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)NC1=[NH+]C(=NC2=CC=CC=C21)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N7/c1-15(2)23-19-16-6-3-4-7-17(16)24-18(25-19)14-26-10-12-27(13-11-26)20-21-8-5-9-22-20/h3-9,15H,10-14H2,1-2H3,(H,23,24,25)/p+2